SCHEMBL18224704

SCHEMBL18224704

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccnc2nc[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.51
▸ CYP3A4 P08684 7/20 0.48
▸ EGLN1 Q9GZT9 1/20 0.47
▸ ATF1 P18846 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ BRAF P15056 1/20 0.47
▸ CYP3A5 P20815 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ TYK2 P29597 1/20 0.46
▸ GMNN O75496 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ THRB P10828 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18224773 0.86 CYP3A4 (0.55) CYP3A4SMN1; SMN2CYP3A5LMNAHTT
SCHEMBL18225534 0.84 CYP3A4 (0.42) MAPTCYP3A4BRAFCYP3A5KDR
SCHEMBL18225533 0.84 CYP3A4 (0.42) MAPTCYP3A4BRAFCYP3A5KDR
SCHEMBL18225666 0.83 CYP3A4 (0.64) MAPTCYP3A4CYP3A5JAK2JAK1
SCHEMBL18224844 0.83 CYP3A4 (0.64) CYP3A4CYP3A5NPC1RAB9APBK
SCHEMBL18224735 0.83 MAPT (0.57) MAPTCYP3A4SMN1; SMN2CYP3A5NPC1
SCHEMBL18225384 0.83 CYP3A4 (0.61) CYP3A4CYP3A5PBK
SCHEMBL18225392 0.82 GRM4 (0.55) CYP3A4BRAFCYP3A5THRBKDR
SCHEMBL18225736 0.78 AXL (0.47) CYP3A4BRAFCYP3A5PBKKDR
SCHEMBL18224656 0.78 GRM4 (0.51) MAPTCYP3A4PTGS1BRAFCYP3A5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 — — EP disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 — — EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
EP-3294732-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE Gilead Sciences, Inc. (US) 2018-03-21 — — EP disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 — — WO disclosed
WO-2016186967-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES, INC. (US) 2016-11-24 — — WO disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — US disclosed
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS GILEAD SCIENCES, INC. 2016-11-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160333009-A1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS IDO1, IDO2, INMT MAPT 3406/4885CYP3A4 245/4885EGLN1 434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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